4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide

C19H14N2O2S2 — CID 4584042

IUPAC4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C19H14N2O2S2/c20-14-15-10-12-17(13-11-15)25(22,23)21-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,21H
InChIKeyIOMCMWBXDZWDHK-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.51
Rot. Bonds5

About 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide

4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide (PubChem CID 4584042) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
PubChem CID4584042
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C19H14N2O2S2/c20-14-15-10-12-17(13-11-15)25(22,23)21-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,21H
InChIKeyIOMCMWBXDZWDHK-UHFFFAOYSA-N
XLogP4.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
3-[(4-cyanophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45475653

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide (CID 4584042) is 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The InChIKey is IOMCMWBXDZWDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c20-14-15-10-12-17(13-11-15)25(22,23)21-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13,21H.
What are the key properties of 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide has a molecular weight of 366.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 4584042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).